5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide

C20H16Cl2N2O4 — CID 6873592

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C20H16Cl2N2O4/c1-26-15-4-2-3-13(9-15)11-23-24-20(25)19-8-6-16(28-19)12-27-18-7-5-14(21)10-17(18)22/h2-11H,12H2,1H3,(H,24,25)/b23-11+
InChIKeyWAICUOAKFPZRSL-FOKLQQMPSA-N
MW419.26 g/mol
LogP4.94
Rot. Bonds7

About 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide (PubChem CID 6873592) has the molecular formula C20H16Cl2N2O4 and a molecular weight of 419.26 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide
PubChem CID6873592
Molecular FormulaC20H16Cl2N2O4
Molecular Weight419.26 g/mol
Exact Mass418.05
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1
InChIInChI=1S/C20H16Cl2N2O4/c1-26-15-4-2-3-13(9-15)11-23-24-20(25)19-8-6-16(28-19)12-27-18-7-5-14(21)10-17(18)22/h2-11H,12H2,1H3,(H,24,25)/b23-11+
InChIKeyWAICUOAKFPZRSL-FOKLQQMPSA-N
XLogP4.94
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(2-chlorophenoxy)methyl]-N'-(4-methoxybenzylidene)-2-furohydrazide
CID 6874296
5-[(2-chlorophenoxy)methyl]-N'-(2,4-dimethoxy-3-methylbenzylidene)-2-furohydrazide
CID 6874399
5-[(2,5-dichlorophenoxy)methyl]-N'-(4-hydroxybenzylidene)-2-furohydrazide
CID 135511005
5-[(3,4-dimethylphenoxy)methyl]-N'-(2-methoxybenzylidene)-2-furohydrazide
CID 5430522
5-[(2-chlorophenoxy)methyl]-N'-(2-fluorobenzylidene)-2-furohydrazide
CID 6874364
N-[(E)-(4-chloro-2-hydroxyphenyl)methylideneamino]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 135993333
5-[(2-chlorophenoxy)methyl]-N-[(4-methoxyphenyl)methylideneamino]-2-furancarboxamide
CID 999921
5-[(2-chlorophenoxy)methyl]-N-[(2-fluorophenyl)methylideneamino]furan-2-carboxamide
CID 1004975
5-[(2,4-dichlorophenoxy)methyl]-N'-[4-(trifluoromethyl)benzylidene]-2-furohydrazide
CID 9665177
5-(4-chlorophenyl)-N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 167451027
(E)-N'-[4-(4-Chlorobenzyloxy)-3-methoxybenzylidene]furan-2-\ carbohydrazide
CID 168309179
5-[(2,4-dichlorophenoxy)methyl]-N-[[4-(trifluoromethyl)phenyl]methylideneamino]furan-2-carboxamide
CID 3344180

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide (CID 6873592) is 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide is COc1cccc(/C=N/NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide?
The InChIKey is WAICUOAKFPZRSL-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4/c1-26-15-4-2-3-13(9-15)11-23-24-20(25)19-8-6-16(28-19)12-27-18-7-5-14(21)10-17(18)22/h2-11H,12H2,1H3,(H,24,25)/b23-11+.
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide has a molecular weight of 419.26 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-N-[(E)-(3-methoxyphenyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 6873592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).